CAS Num: 000110-42-9
SMILES : O=C(OC)CCCCCCCCC
CHEM   : Decanoic acid, methyl ester
MOL FOR: C11 H22 O2 
MOL WT : 186.30
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Water Solubility (mg/L):   ------
    Vapor Pressure (mm Hg) :   ------
    Henry LC (atm-m3/mole) :   ------
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------

 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.30
    Log Kow (Exper. database match) =  4.41
       Exper. Ref:  HANSCH,C ET AL. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.43):
    Boiling Pt (deg C):  229.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  1.67  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.107  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  14.2  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -18 deg C
    BP  (exp database):  224 deg C
    VP  (exp database):  3.70E-02 mm Hg (4.93E+000 Pa) at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  8.787
       log Kow used: 4.41 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  4.4 mg/L (20 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  14.338 mg/L

 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Esters

 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.69E-003  atm-m3/mole  (1.71E+002 Pa-m3/mole)
   Group Method:   1.86E-003  atm-m3/mole  (1.88E+002 Pa-m3/mole)
   Exper Database: 2.06E-03  atm-m3/mole  (2.09E+002 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.985E-003 atm-m3/mole  (3.025E+002 Pa-m3/mole)
      VP:   0.107 mm Hg (source: MPBPVP)
      WS:   8.79 mg/L (source: WSKOWWIN)

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.41  (exp database)
  Log Kaw used:  -1.075  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  5.485
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9415
   Biowin2 (Non-Linear Model)     :   0.9981
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.2260  (weeks       )
   Biowin4 (Primary Survey Model) :   4.0770  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.8978
   Biowin6 (MITI Non-Linear Model):   0.9556
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.7390
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  4.93 Pa (0.037 mm Hg)
  Log Koa (Koawin est  ): 5.485
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  6.08E-007 
       Octanol/air (Koa) model:  7.5E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  2.2E-005 
       Mackay model           :  4.86E-005 
       Octanol/air (Koa) model:  6E-006 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  10.3681 E-12 cm3/molecule-sec
      Half-Life =     1.032 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =    12.379 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      3.53E-005 (Junge-Pankow, Mackay avg)
      6E-006 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  390.2  L/kg (MCI method)
      Log Koc:  2.591       (MCI method)
      Koc    :  1990  L/kg (Kow method)
      Log Koc:  3.299       (Kow method)

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Kb for pH > 8 at 25 deg C :  3.016E-002  L/mol-sec
  Kb Half-Life at pH 8:     266.000  days   
  Kb Half-Life at pH 7:       7.283  years  
    (Total Kb applies only to esters, carbmates, alkyl halides)

 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 1.202 (BCF = 15.94 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.7021 days (HL = 0.1986 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.916 (BCF = 82.37)
   Log BAF Arnot-Gobas method (upper trophic) = 1.916 (BAF = 82.37)
       log Kow used: 4.41 (expkow database)

 Volatilization from Water:
    Henry LC:  0.00206 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:      1.781  hours
    Half-Life from Model Lake :      133.9  hours   (5.578 days)

 Removal In Wastewater Treatment:
    Total removal:              68.17  percent
    Total biodegradation:        0.35  percent
    Total sludge adsorption:    43.53  percent
    Total to Air:               24.29  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       6.36            24.8         1000       
   Water     25              360          1000       
   Soil      68.2            720          1000       
   Sediment  0.401           3.24e+003    0          
     Persistence Time: 263 hr